SB32-0887 Screening compound: 1-[(3S,4S)-3-(methoxymethyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-1-yl]-3-phenyl-1-propanone

SB32-0887 Screening compound: 1-[(3S,4S)-3-(methoxymethyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-1-yl]-3-phenyl-1-propanone
SB32-0887 Screening compound: 1-[(3S,4S)-3-(methoxymethyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-1-yl]-3-phenyl-1-propanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SB32-0887
1-[(3S,4S)-3-(methoxymethyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-1-yl]-3-phenyl-1-propanone

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

SB32-0887

Molecular Formula

C23H26N4O2 (C23 H26 N4 O2)

Compound Name

1-[(3S,4S)-3-(methoxymethyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-1-yl]-3-phenyl-1-propanone

IUPAC name

1-[(3S4S)-3-(methoxymethyl)-4-(3-phenyl-1H-124-triazol-5-yl)pyrrolidin-1-yl]-3-phenylpropan-1-one

SMILES

COC[C@@H](CN(C1)C(CCc2ccccc2)=O)[C@H]1c1nc(-c2ccccc2)n[nH]1

InChI

InChI=1S/C23H26N4O2/c1-29-16-19-14-27(21(28)13-12-17-8-4-2-5-9-17)15-20(19)23-24-22(25-26-23)18-10-6-3-7-11-18/h2-11,19-20H,12-16H2,1H3,(H,24,25,26)/t19-,20+/m0/s1

InChI Key

XDEJDRXANWFTHU-VQTJNVASSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.623

Distribution Coefficient, logD

3.619

Water Solubility, LogSw

-3.69

Polar Surface Area

58.529

Acid Dissociation Constant (pKa)

7.46

Base Dissociation Constant (pKb)

1.31

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

34.78

SB32-0887 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SB32-0887 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB32-0887?
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What is the minimum amount of SB32-0887 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB32-0887
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB32-0887
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of SB32-0887 available by request